MassBank Record: UT000224



 9,10-DiHOME; LC-ESI-QIT; MS2; CE:45 V; [M-H]- 
Mass Spectrum
Chemical Structure

ACCESSION: UT000224
RECORD_TITLE: 9,10-DiHOME; LC-ESI-QIT; MS2; CE:45 V; [M-H]-
DATE: 2016.01.19 (Created 2007.10.19, modified 2012.05.21)
AUTHORS: Nakanishi H, Taguchi R, Graduate School of Medicine, The University of Tokyo.
LICENSE: CC BY-NC-SA

CH$NAME: 9,10-DiHOME CH$NAME: 9,10-dihydroxy-12Z-octadecenoic acid CH$NAME: (+-)9,10-DiHOME CH$COMPOUND_CLASS: Natural Product; Lipid; Fatty acid CH$FORMULA: C18H34O4 CH$EXACT_MASS: 314.24571 CH$SMILES: CCCCCC=CCC(O)C(O)CCCCCCCC(O)=O CH$IUPAC: InChI=1S/C18H34O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h7,10,16-17,19-20H,2-6,8-9,11-15H2,1H3,(H,21,22)/b10-7+ CH$LINK: CAS 263399-34-4 CH$LINK: CAYMAN 53400 CH$LINK: LIPIDBANK DFA8024
AC$INSTRUMENT: 4000Q TRAP, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QIT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 45 V AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: IGNORE rel.val. < 0.5 MS$DATA_PROCESSING: WHOLE Analyst 1.4.2
PK$SPLASH: splash10-0udi-0890000000-635a557f3e5b47dbbd81 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 74.960 10000.0 6 80.000 5000.0 3 97.040 5000.0 3 99.120 12500.0 8 122.880 5000.0 3 123.040 7500.0 5 125.105 170000.0 108 126.640 5000.0 3 126.800 5000.0 3 127.100 245000.0 156 127.760 5000.0 3 137.120 17500.0 11 139.200 12500.0 8 148.960 12500.0 8 153.120 15000.0 10 155.138 132500.0 84 156.960 12500.0 8 157.120 12500.0 8 165.095 112500.0 71 171.053 557500.0 354 172.960 15000.0 10 181.040 12500.0 8 183.065 70000.0 44 184.960 5000.0 3 193.120 10000.0 6 199.089 142500.0 91 201.074 1572500.0 999 223.080 5000.0 3 277.113 125000.0 79 277.520 10000.0 6 295.280 12500.0 8 //